| CAS Number | 871727-76-3 |
| Catalog Number | AG00IEEV(AGN-PC-0VBBSO) |
| Chemical Name | (2R,4R)-TERT-BUTYL 2-(HYDROXYMETHYL)-4-METHYLPYRROLIDINE-1-CARBOXYLATE |
| IUPAC Name | tert-butyl (2R,4R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H21NO3/c1-8-5-9(7-13)12(6-8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m1/s1 |
| InChI Key | MTGCHOAIXJTLDT-RKDXNWHRSA-N |
| MDL Number | MFCD18071968 |
| Molecular Formula | C11H21NO3 |
| Molecular Weight | 215.2893 |
| SMILES | C[C@@H]1C[C@H](CO)N(C1)C(=O)OC(C)(C)C |
| Synonyms | 871727-76-3,
(2R,4R)-tert-Butyl 2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate,
SCHEMBL12216558,
MFCD18071968,
ZINC95629909,
AKOS027339435,
CS-W018406,
AS-42932,
(2R,4R)-t-Butyl 2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate,
1-Pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-4-methyl-,1,1-dimethylethyl ester, (2R,4R)-,
tert-butyl (2S,4S)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate,
540501-56-2,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.293g/mol |
| Monoisotopic Mass | 215.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number